2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one

C11H13NO3S — CID 82084310

IUPAC2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1cccc(C)c1N1C(=O)CCS1(=O)=O
InChIInChI=1S/C11H13NO3S/c1-8-4-3-5-9(2)11(8)12-10(13)6-7-16(12,14)15/h3-5H,6-7H2,1-2H3
InChIKeyJQPXQIFQSPZYJQ-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.37
Rot. Bonds1

About 2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one

2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 82084310) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID82084310
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1cccc(C)c1N1C(=O)CCS1(=O)=O
InChIInChI=1S/C11H13NO3S/c1-8-4-3-5-9(2)11(8)12-10(13)6-7-16(12,14)15/h3-5H,6-7H2,1-2H3
InChIKeyJQPXQIFQSPZYJQ-UHFFFAOYSA-N
XLogP1.37
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one (CID 82084310) is 2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one is Cc1cccc(C)c1N1C(=O)CCS1(=O)=O.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is JQPXQIFQSPZYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-8-4-3-5-9(2)11(8)12-10(13)6-7-16(12,14)15/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 239.30 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 82084310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).